3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole

C16H8F2N4O2 — CID 139220637

IUPAC3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(-c3nc(-c4cccc(F)c4)no3)n2)c1
InChIInChI=1S/C16H8F2N4O2/c17-11-5-1-3-9(7-11)13-19-15(23-21-13)16-20-14(22-24-16)10-4-2-6-12(18)8-10/h1-8H
InChIKeyGZUJVQFXKSCCLD-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.73
Rot. Bonds3

About 3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole

3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole (PubChem CID 139220637) has the molecular formula C16H8F2N4O2 and a molecular weight of 326.26 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
PubChem CID139220637
Molecular FormulaC16H8F2N4O2
Molecular Weight326.26 g/mol
Exact Mass326.06
IUPAC Name3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(-c3nc(-c4cccc(F)c4)no3)n2)c1
InChIInChI=1S/C16H8F2N4O2/c17-11-5-1-3-9(7-11)13-19-15(23-21-13)16-20-14(22-24-16)10-4-2-6-12(18)8-10/h1-8H
InChIKeyGZUJVQFXKSCCLD-UHFFFAOYSA-N
XLogP3.73
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzodioxol-5-yl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 91917216
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069286
5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole
CID 160804234
3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 59651736
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 43514855
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 43514837
2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 60836256
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 69195463
3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
CID 56770576
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769550

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole (CID 139220637) is 3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole is Fc1cccc(-c2noc(-c3nc(-c4cccc(F)c4)no3)n2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is GZUJVQFXKSCCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N4O2/c17-11-5-1-3-9(7-11)13-19-15(23-21-13)16-20-14(22-24-16)10-4-2-6-12(18)8-10/h1-8H.
What are the key properties of 3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 326.26 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 139220637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).